Glycoside
GD010489
Name:
NoneFormula:
C37H37O9N6PSmiles:
C[C@]1(O)[C@H](O)[C@H](COP(=O)(N[C@H](Cc2ccccc2)C(=O)OCc2ccccc2)Oc2cccc3ccccc23)O[C@H]1n1cnc2c(=O)[nH]c(N)nc21Aglycone:
COP(=O)(NC(Cc1ccccc1)C(=O)OCc1ccccc1)Oc1cccc2ccccc12.Nc1nc2c(c(=O)[nH]1)N=C[N]2Sugarmoiety:
CC1(O)C(O)OC(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 7 |
| HBD: | 6 | FractionCSP3: | 0.24 |
| AlogP: | 4.01 | Num_rotatable_bonds: | 13 |
| MolWt: | 740.71 | Num_heavy_atoms: | 53 |
| TPSA: | 213.14 | NumAromaticRings: | 6 |
Unique Aglycone
AD00207
Formula: C5H4ON5
Smiles:
Nc1nc2c(c(=O)[nH]1)N=C[N]2| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.74 | Num_rotatable_bonds: | 0 |
| MolWt: | 150.12 | Num_heavy_atoms: | 11 |
| TPSA: | 98.23 | NumAromaticRings: | 1 |
AD08095
Formula: C27H26O5NP
Smiles:
COP(=O)(NC(Cc1ccccc1)C(=O)OCc1ccccc1)Oc1cccc2ccccc12| HBA: | 6 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.15 |
| AlogP: | 5.92 | Num_rotatable_bonds: | 10 |
| MolWt: | 475.48 | Num_heavy_atoms: | 34 |
| TPSA: | 73.86 | NumAromaticRings: | 4 |
